Molecule card · MolClass #48909
24838104
24838104: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24838104Mitochondrial Fusion · compound_name
- MolClass ID
- 48909
- InChIKey
- UGYXHOTZDBRRKS-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc4ccc(O)c(CN1CC=C(CC1)c2ccccc2)c4(c3)
- Standard InChI
- InChI=1S/C23H23NO2/c1-26-20-9-7-19-8-10-23(25)22(21(19)15-20)16-24-13-11-18(12-14-24)17-5-3-2-4-6-17/h2-11,15,25H,12-14,16H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)C2=CCN(Cc3cccc4ccccc43)CC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.435 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.661
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24838104